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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(CO)[C@H]2C[C@H]3N(CC[C@@]11C3=NC3=C1C=C(OC)C=C3)C\C2=C\C

InChIKey

InChIKey=JBFBTBFJYNNYPW-JMXPSJGCSA-N

Formula

C22H26N2O4

Mass

382.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Corynanthean-type alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Corynanthean-type alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Corynanthean skeleton - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Beta-hydroxy acid - Aralkylamine - Piperidine - Benzenoid - Hydroxy acid - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Ketimine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Imine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.

External Descriptors

Not available

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